SCHEMBL16600533

SCHEMBL16600533

O=C(C#Cc1ccc(F)cc1)N1CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 16/20 0.85
HSD11B1 P28845 1/20 0.50
ENPP2 Q13822 1/20 0.48
ATXN2 Q99700 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16600096 0.96 GPR183 (0.85) GPR183ENPP2ATXN2
SCHEMBL16599878 0.92 GPR183 (1.00) GPR183ENPP2ATXN2
SCHEMBL16600270 0.91 GPR183 (1.00) GPR183ENPP2ATXN2
SCHEMBL17838626 0.91 GPR183 (0.81) GPR183ENPP2ATXN2
SCHEMBL17938706 0.88 GPR183 (0.63) GPR183HSD11B1
SCHEMBL16600078 0.88 GPR183 (1.00) GPR183ENPP2ATXN2
SCHEMBL17938697 0.88 GPR183 (0.63) GPR183HSD11B1
SCHEMBL16599826 0.87 GPR183 (1.00) GPR183ENPP2ATXN2
SCHEMBL16600134 0.87 GPR183 (1.00) GPR183ENPP2ATXN2
SCHEMBL16600166 0.87 GPR183 (0.92) GPR183ENPP2ATXN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 US claimed
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 US disclosed
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS Sanford Burnham Prebys Medical Discovery Institute 2016-06-23 US disclosed
WO-2015048567-A1 SPIROCYCLIC EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS HAVCR2, BIRC2, ESR2 GPR183 17/4885HSD11B1 2100/4885ENPP2 90/4885
US-10196369-B2 Spirocyclic EBI2 modulators HAVCR2, BIRC2, ESR2 GPR183 17/4885HSD11B1 2100/4885ENPP2 90/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.